[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium

C23H25N2O4+ — CID 145482250

IUPAC[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium
SMILESO=C([OH2+])[C@H]1CCCN1Cc1cccc(OCCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N2O4/c26-23(27)21-10-5-12-25(21)15-17-6-4-9-20(14-17)28-13-11-19-16-29-22(24-19)18-7-2-1-3-8-18/h1-4,6-9,14,16,21H,5,10-13,15H2,(H,26,27)/p+1/t21-/m1/s1
InChIKeyHPPVPHJAQKGIGJ-OAQYLSRUSA-O
MW393.46 g/mol
LogP3.18
Rot. Bonds8

About [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium

[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium (PubChem CID 145482250) has the molecular formula C23H25N2O4+ and a molecular weight of 393.46 g/mol. Its IUPAC name is [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium.

Molecular Properties

Compound Name[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium
PubChem CID145482250
Molecular FormulaC23H25N2O4+
Molecular Weight393.46 g/mol
Exact Mass393.18
IUPAC Name[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium
SMILESO=C([OH2+])[C@H]1CCCN1Cc1cccc(OCCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N2O4/c26-23(27)21-10-5-12-25(21)15-17-6-4-9-20(14-17)28-13-11-19-16-29-22(24-19)18-7-2-1-3-8-18/h1-4,6-9,14,16,21H,5,10-13,15H2,(H,26,27)/p+1/t21-/m1/s1
InChIKeyHPPVPHJAQKGIGJ-OAQYLSRUSA-O
XLogP3.18
TPSA78.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[[3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 145482293
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69172262
methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69171870
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
1-[[3-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69189492
(2R)-1-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69201573
(2R)-1-[[4-[2-(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171238
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171905
1-[[3-(3-cyanopropoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040326
methyl (2S)-1-[[4-[2-(5-methylsulfonyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69199437

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium?
The IUPAC name of [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium (CID 145482250) is [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium.
What is the SMILES notation for [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium?
The canonical SMILES for [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium is O=C([OH2+])[C@H]1CCCN1Cc1cccc(OCCc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium?
The InChIKey is HPPVPHJAQKGIGJ-OAQYLSRUSA-O. The full InChI is InChI=1S/C23H24N2O4/c26-23(27)21-10-5-12-25(21)15-17-6-4-9-20(14-17)28-13-11-19-16-29-22(24-19)18-7-2-1-3-8-18/h1-4,6-9,14,16,21H,5,10-13,15H2,(H,26,27)/p+1/t21-/m1/s1.
What are the key properties of [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium?
[(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium has a molecular weight of 393.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carbonyl]oxidanium is sourced from PubChem (CID 145482250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).